EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198309 - VM48640

ChEBI IDCHEBI:198309
ChEBI NameVM48640
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H52O8
Net Charge0
Average Mass600.793
Monoisotopic Mass600.36622
SMILESC/C=C(\C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\CO)[C@]4(O)C[C@H](OC)C(C)=C[C@H]4C(=O)O3)O2)[C@H](O)C[C@@H]1C
InChIInChI=1S/C35H52O8/c1-8-23(4)32-25(6)16-31(37)35(43-32)18-28-17-27(42-35)13-12-22(3)14-21(2)10-9-11-26(20-36)34(39)19-30(40-7)24(5)15-29(34)33(38)41-28/h8-12,15,21,25,27-32,36-37,39H,13-14,16-20H2,1-7H3/b10-9+,22-12+,23-8+,26-11+/t21-,25-,27+,28-,29-,30-,31+,32+,34+,35-/m0/s1
InChIKeyRZZQRUATDNDCKY-BDIOVGCPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8626244)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
VM48640 (CHEBI:198309) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1S,3'R,4R,5'S,6'S,7S,9S,10E,12E,14R,16E,19R,21S)-6'-[(E)-but-2-en-2-yl]-3',9-dihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,14,16-tetramethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
Manual XrefsDatabases
8874169ChemSpider